UCSF
ZINC Item Suppliers, Protomers, & Similar Substances

Analogs

20890206
20890206
6767636
6767636
6767637
6767637

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Popular Name: (5S)-5-(4-ethoxy-3-methoxy-phenyl)-1-methyl-2-methylsulfanyl-6,8-dihydro-5H-pyrido[5,6-e]pyrimidine- (5S)-5-(4-ethoxy-3-methoxy-pheny…

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Physical Representations

Type pH range xlogP Des A‑Pol Apolar desolvation (kcal/mol) Des Pol Polar desolvation (kcal/mol) H Don H-bond donors H Acc H-bond acceptors Chg Net charge tPSA (Ų) MWT Molecular weight (g/mol) RB Rotatable bonds DL
Ref Reference (pH 7) 1.61 6.36 -22.35 1 7 0 82 375.45 5 ↓
Mid Mid (pH 6-8) 1.61 7.27 -44.81 2 7 1 84 376.458 5 ↓

Analogs

20890202
20890202
6767636
6767636
6767637
6767637

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Popular Name: (5R)-5-(4-ethoxy-3-methoxy-phenyl)-1-methyl-2-methylsulfanyl-6,8-dihydro-5H-pyrido[5,6-e]pyrimidine- (5R)-5-(4-ethoxy-3-methoxy-pheny…

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Physical Representations

Type pH range xlogP Des A‑Pol Apolar desolvation (kcal/mol) Des Pol Polar desolvation (kcal/mol) H Don H-bond donors H Acc H-bond acceptors Chg Net charge tPSA (Ų) MWT Molecular weight (g/mol) RB Rotatable bonds DL
Ref Reference (pH 7) 1.61 6.35 -22.37 1 7 0 82 375.45 5 ↓
Mid Mid (pH 6-8) 1.61 7.26 -44.81 2 7 1 84 376.458 5 ↓

Analogs

20890230
20890230

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Popular Name: (5R)-5-(3-hydroxyphenyl)-1-methyl-2-methylsulfanyl-6,8-dihydro-5H-pyrido[5,6-e]pyrimidine-4,7-dione (5R)-5-(3-hydroxyphenyl)-1-methy…

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Physical Representations

Type pH range xlogP Des A‑Pol Apolar desolvation (kcal/mol) Des Pol Polar desolvation (kcal/mol) H Don H-bond donors H Acc H-bond acceptors Chg Net charge tPSA (Ų) MWT Molecular weight (g/mol) RB Rotatable bonds DL
Ref Reference (pH 7) 1.09 3.49 -21.69 2 6 0 84 317.37 2 ↓
Mid Mid (pH 6-8) 1.09 4.39 -44.05 3 6 1 85 318.378 2 ↓

Analogs

20890225
20890225

Draw Identity 99% 90% 80% 70%

Popular Name: (5S)-5-(3-hydroxyphenyl)-1-methyl-2-methylsulfanyl-6,8-dihydro-5H-pyrido[5,6-e]pyrimidine-4,7-dione (5S)-5-(3-hydroxyphenyl)-1-methy…

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Physical Representations

Type pH range xlogP Des A‑Pol Apolar desolvation (kcal/mol) Des Pol Polar desolvation (kcal/mol) H Don H-bond donors H Acc H-bond acceptors Chg Net charge tPSA (Ų) MWT Molecular weight (g/mol) RB Rotatable bonds DL
Ref Reference (pH 7) 1.09 3.51 -21.71 2 6 0 84 317.37 2 ↓
Mid Mid (pH 6-8) 1.09 4.41 -44.05 3 6 1 85 318.378 2 ↓

Parameters Provided:

ring.id = 76033
filter.purchasability = annotated
page.format = targets
page.num = 1

Structural Results Found: (before additional filtering)

SQL Query Was

SELECT DISTINCT(ci.sub_id_fk) AS sub_id FROM catalog_item AS ci INNER JOIN catalog AS c ON ci.cat_id_fk=c.cat_id INNER JOIN hasring AS hr ON ci.sub_id_fk=hr.sub_id_fk INNER JOIN rings AS r ON hr.rings_fk=r.rings_id  WHERE r.rings_id = 76033 AND c.free = 1 AND c.purchasable = 0    LIMIT 50

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